SCHEMBL5726467

SCHEMBL5726467

Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1N1C(=O)c2cccnc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.49
CA2 P00918 9/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
GRM1 Q13255 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GRM4 Q14833 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
TRPV1 Q8NER1 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11725885 0.80 CA1 (0.54) CA1CA2ALDH1A1HTTHSD17B10
SCHEMBL5725522 0.78 GRM1 (0.42) ALDH1A1HSD17B10CYP2C9GRM1SMN1; SMN2
SCHEMBL2916208 0.77 GRM1 (0.52) CYP2C9GRM1SMN1; SMN2GRM4
SCHEMBL11723801 0.76 L3MBTL1 (0.70) CA1CA2ALDH1A1HTTHSD17B10
SCHEMBL3374587 0.76 ANPEP (0.46) GRM1SMN1; SMN2GRM4
SCHEMBL5418153 0.76 LMNA (0.42) CYP2C9GRM1SMN1; SMN2MEN1KMT2A
SCHEMBL5429466 0.76 GRM1 (0.51) CYP2C9GRM1SMN1; SMN2GRM4
SCHEMBL5724888 0.75 ESR1 (0.36) GRM1SMN1; SMN2MEN1KMT2AGRM4
SCHEMBL2918059 0.74 LMNA (0.40) GRM1SMN1; SMN2MEN1KMT2AGRM4
SCHEMBL2916938 0.73 LMNA (0.40) CA2GRM1SMN1; SMN2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1188745-B1 HETEROCYCLIC DICARBOXYLIC ACID DIAMIDE DERIVATIVES, AGRICULTURAL/HORTICULTURAL INSECTICIDES AND METHOD OF USING THE SAME NIHON NOHYAKU CO LTD (JP) 2006-12-20 EP disclosed
US-6747041-B1 PROTECT USEFUL CROPS AGAINST INSECT PESTS, SUCH AS MOTHS, FLIES, WORMS, NEMATODES, CATERPILLARS NIHON NOHYAKU CO., LTD. (JP) 2004-06-08 US disclosed
EP-1188745-A1 HETEROCYCLIC DICARBOXYLIC ACID DIAMIDE DERIVATIVES, AGRICULTURAL/HORTICULTURAL INSECTICIDES AND METHOD OF USING THE SAME Nihon Nohyaku Co., Ltd. (JP) 2002-03-20 EP disclosed